cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate

C21H23N5O3S — CID 134203940

IUPACcyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)nc2s1
InChIInChI=1S/C21H23N5O3S/c1-12-18(26-21(28)29-15-6-4-3-5-7-15)10-14(11-22-12)16-8-9-17-19(24-16)30-20(25-17)23-13(2)27/h8-11,15H,3-7H2,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyIJNVNPGMRHSGLF-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.90
Rot. Bonds4

About cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate

cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 134203940) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate
PubChem CID134203940
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Namecyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)nc2s1
InChIInChI=1S/C21H23N5O3S/c1-12-18(26-21(28)29-15-6-4-3-5-7-15)10-14(11-22-12)16-8-9-17-19(24-16)30-20(25-17)23-13(2)27/h8-11,15H,3-7H2,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyIJNVNPGMRHSGLF-UHFFFAOYSA-N
XLogP4.90
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate (CID 134203940) is cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate is CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)nc2s1.
What is the InChIKey of cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is IJNVNPGMRHSGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-12-18(26-21(28)29-15-6-4-3-5-7-15)10-14(11-22-12)16-8-9-17-19(24-16)30-20(25-17)23-13(2)27/h8-11,15H,3-7H2,1-2H3,(H,26,28)(H,23,25,27).
What are the key properties of cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate?
cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 425.51 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).